Chem
J-GLOBAL ID:200907057420358760
Nikkaji number:J1.739.616A
Tris[2-(cyanomethoxy)-3,5-di-tert-butylphenyl]methane
トリス[2-(シアノメトキシ)-3,5-ジ-tert-ブチルフェニル]メタン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C49 H67 N3 O3
Molecular formula furigana:
C49-H67-N3-O3
Molecular weight:
746.093
InChI:
InChI=1S/C49H67N3O3/c1-44(2,3)31-25-34(41(53-22-19-50)37(28-31)47(10,11)12)40(35-26-32(45(4,5)6)29-38(48(13,14)15)42(35)54-23-20-51)36-27-33(46(7,8)9)30-39(49(16,17)18)43(36)55-24-21-52/h25-30,40H,22-24H2,1-18H3
InChI key:
MDBGLPYWOBFYHH-UHFFFAOYSA-N
SMILES:
CC(C)(C)c1cc(C(c2cc(cc(c2OCC#N)C(C)(C)C)C(C)(C)C)c2cc(cc(c2OCC#N)C(C)(C)C)C(C)(C)C)c(OCC#N)c(c1)C(C)(C)C
Systematic name (4):
トリス[3,5-ジ-tert-ブチル-2-(シアノメトキシ)フェニル]メタン
トリス[2-(シアノメトキシ)-3,5-ジ-tert-ブチルフェニル]メタン
2-(2-{ビス[3,5-ジ-tert-ブチル-2-(シアノメトキシ)フェニル]メチル}-4,6-ジ-tert-ブチルフェノキシ)アセトニトリル
2-(2-{bis[3,5-di-tert-butyl-2-(cyanomethoxy)phenyl]methyl}-4,6-di-tert-butylphenoxy)acetonitrile
Other name (2):
Tris[3,5-di-tert-butyl-2-(cyanomethoxy)phenyl]methane
Tris[2-(cyanomethoxy)-3,5-di-tert-butylphenyl]methane
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